C592-2034 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide

C592-2034 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
C592-2034 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2034
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C592-2034

Molecular Formula

C26H33N5O2S (C26 H33 N5 O2 S)

Compound Name

N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide

IUPAC name

N-[(5-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-124-triazol-3-yl)methyl]adamantane-1-carboxamide

SMILES

CCn1c(SCC(N(CC2)c3c2cccc3)=O)nnc1CNC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C26H33N5O2S/c1-2-30-22(15-27-24(33)26-12-17-9-18(13-26)11-19(10-17)14-26)28-29-25(30)34-16-23(32)31-8-7-20-5-3-4-6-21(20)31/h3-6,17-19H,2,7-16H2,1H3,(H,27,33)

InChI Key

UGWHFCZTCQERGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.12

Polar Surface Area

65.083

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

C592-2034 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C592-2034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2034?
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What is the minimum amount of C592-2034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2034
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C592-2034 available by request